O2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester O4-ethyl ester IUPAC Name: 2-O-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-keto-2-(piperonylamino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H22N2O7/c1-4-26-19(24)17-11(2)18(22-12(17)3)20(25)27-9-16(23)21-8-13-5-6-14-15(7-13)29-10-28-14/h5-7,22H,4,8-10H2,1-3H3,(H,21,23)